1DTD
 
 | | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2) | | Descriptor: | CARBOXYPEPTIDASE A2, GLUTAMIC ACID, METALLOCARBOXYPEPTIDASE INHIBITOR, ... | | Authors: | Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X. | | Deposit date: | 2000-01-12 | | Release date: | 2000-07-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
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1DTV
 | | NMR STRUCTURE OF THE LEECH CARBOXYPEPTIDASE INHIBITOR (LCI) | | Descriptor: | CARBOXYPEPTIDASE INHIBITOR | | Authors: | Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X. | | Deposit date: | 2000-01-13 | | Release date: | 2000-07-19 | | Last modified: | 2024-10-30 | | Method: | SOLUTION NMR | | Cite: | Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
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1DNY
 | | SOLUTION STRUCTURE OF PCP, A PROTOTYPE FOR THE PEPTIDYL CARRIER DOMAINS OF MODULAR PEPTIDE SYNTHETASES | | Descriptor: | NON-RIBOSOMAL PEPTIDE SYNTHETASE PEPTIDYL CARRIER PROTEIN | | Authors: | Weber, T, Baumgartner, R, Renner, C, Marahiel, M.A, Holak, T.A. | | Deposit date: | 1999-12-17 | | Release date: | 2000-05-17 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of PCP, a prototype for the peptidyl carrier domains of modular peptide synthetases.
Structure Fold.Des., 8, 2000
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1HJ0
 | | Thymosin beta9 | | Descriptor: | THYMOSIN BETA9 | | Authors: | Stoll, R, Voelter, W, Holak, T.A. | | Deposit date: | 2001-01-05 | | Release date: | 2002-01-04 | | Last modified: | 2024-04-24 | | Method: | SOLUTION NMR | | Cite: | Conformation of Thymosin Beta9 in Water/Fluoroalcohol Solution Determined by NMR Spectroscopy
Biopolymers, 41, 1997
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1H59
 | | Complex of IGFBP-5 with IGF-I | | Descriptor: | INSULIN-LIKE GROWTH FACTOR BINDING PROTEIN 5, INSULIN-LIKE GROWTH FACTOR IA | | Authors: | Zeslawski, W, Beisel, H.G, Kamionka, M, Kalus, W, Engh, R.A, Huber, R, Holak, T.A. | | Deposit date: | 2001-05-21 | | Release date: | 2002-05-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The Interaction of Insulin-Like Growth Factor-I with the N-Terminal Domain of Igfbp-5
Embo J., 20, 2001
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1I16
 | | STRUCTURE OF INTERLEUKIN 16: IMPLICATIONS FOR FUNCTION, NMR, 20 STRUCTURES | | Descriptor: | INTERLEUKIN 16 | | Authors: | Muehlhahn, P, Zweckstetter, M, Georgescu, J, Ciosto, C, Renner, C, Lanzendoerfer, M, Lang, K, Ambrosius, D, Baier, M, Kurth, R, Holak, T.A. | | Deposit date: | 1998-05-20 | | Release date: | 1999-05-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure of interleukin 16 resembles a PDZ domain with an occluded peptide binding site.
Nat.Struct.Biol., 5, 1998
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1HJD
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1OXD
 | | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins | | Descriptor: | cyan fluorescent protein cfp | | Authors: | Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N. | | Deposit date: | 2003-04-02 | | Release date: | 2003-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
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1OXE
 | | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins | | Descriptor: | cyan fluorescent protein cfp | | Authors: | Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N. | | Deposit date: | 2003-04-02 | | Release date: | 2003-12-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
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1QLO
 | | Structure of the active domain of the herpes simplex virus protein ICP47 in water/sodium dodecyl sulfate solution determined by nuclear magnetic resonance spectroscopy | | Descriptor: | HERPES SIMPLEX VIRUS PROTEIN ICP47 | | Authors: | Pfaender, R, Neumann, L, Zweckstetter, M, Seger, C, Holak, T.A, Tampe, R. | | Deposit date: | 1999-09-09 | | Release date: | 1999-12-14 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The Structure of the Active Domain of the Herpes Simplex Virus Protein Icp47 in Water/Sodium Dodecyl Sulfate Solution Determined by Nuclear Magnetic Resonance Spectroscopy.
Biochemistry, 38, 1999
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1OH1
 | | Solution structure of staphostatin A form Staphylococcus aureus confirms the discovery of a novel class of cysteine proteinase inhibitors. | | Descriptor: | STAPHOSTATIN A | | Authors: | Dubin, G, Popowicz, G, Krajewski, M, Stec, J, Bochtler, M, Potempa, J, Dubin, A, Holak, T.A. | | Deposit date: | 2003-05-21 | | Release date: | 2003-11-20 | | Last modified: | 2024-11-13 | | Method: | SOLUTION NMR | | Cite: | A Novel Class of Cysteine Protease Inhibitors: Solution Structure of Staphostatin a from Staphylococcus Aureus
Biochemistry, 42, 2003
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1OXF
 | | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins | | Descriptor: | cyan fluorescent protein cfp | | Authors: | Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N. | | Deposit date: | 2003-04-02 | | Release date: | 2003-12-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
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1S0P
 | | Structure of the N-Terminal Domain of the Adenylyl Cyclase-Associated Protein (CAP) from Dictyostelium discoideum. | | Descriptor: | Adenylyl cyclase-associated protein, MAGNESIUM ION | | Authors: | Ksiazek, D, Brandstetter, H, Israel, L, Bourenkov, G.P, Katchalova, G, Janssen, K.P, Bartunik, H.D, Noegel, A.A, Schleicher, M, Holak, T.A. | | Deposit date: | 2004-01-01 | | Release date: | 2004-01-27 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | STRUCTURE OF THE N-TERMINAL DOMAIN OF THE ADENYLYL
CYCLASE-ASSOCIATED PROTEIN (CAP) FROM DICTYOSTELIUM DISCOIDEUM
Structure, 11, 2003
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1KSR
 | | THE REPEATING SEGMENTS OF THE F-ACTIN CROSS-LINKING GELATION FACTOR (ABP-120) HAVE AN IMMUNOGLOBULIN FOLD, NMR, 20 STRUCTURES | | Descriptor: | GELATION FACTOR | | Authors: | Fucini, P, Renner, C, Herberhold, C, Noegel, A.A, Holak, T.A. | | Deposit date: | 1997-02-07 | | Release date: | 1997-08-20 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The repeating segments of the F-actin cross-linking gelation factor (ABP-120) have an immunoglobulin-like fold.
Nat.Struct.Biol., 4, 1997
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1NMF
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1NPS
 | | CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF PROTEIN S | | Descriptor: | CALCIUM ION, DEVELOPMENT-SPECIFIC PROTEIN S | | Authors: | Wenk, M, Baumgartner, R, Mayer, E.M, Huber, R, Holak, T.A, Jaenicke, R. | | Deposit date: | 1999-02-01 | | Release date: | 2000-02-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The domains of protein S from Myxococcus xanthus: structure, stability and interactions.
J.Mol.Biol., 286, 1999
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1NMG
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7BEA
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with inhibitor | | Descriptor: | 2-(aminomethyl)-6-[(2-methyl-3-phenyl-phenyl)methoxy]-~{N}-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine, Programmed cell death 1 ligand 1 | | Authors: | Magiera-Mularz, K, Butera, R, Wazynska, M, Holak, T, Domling, A. | | Deposit date: | 2020-12-22 | | Release date: | 2021-06-09 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Imidazopyridines as PD-1/PD-L1 Antagonists.
Acs Med.Chem.Lett., 12, 2021
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9EO0
 | | Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1 | | Descriptor: | Programmed cell death 1 ligand 1, SULFATE ION, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide | | Authors: | Plewka, J, Hec, A, Sitar, T, Holak, T. | | Deposit date: | 2024-03-14 | | Release date: | 2024-06-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Nonsymmetrically Substituted 1,1'-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction.
Acs Med.Chem.Lett., 15, 2024
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8ALX
 | | Structure of human PD-L1 in complex with inhibitor | | Descriptor: | 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE, AMINOMETHYLAMIDE, ACETATE ION, ... | | Authors: | Rodriguez, I, Grudnik, P, Holak, T, Magiera-Mularz, K. | | Deposit date: | 2022-08-01 | | Release date: | 2023-08-16 | | Last modified: | 2024-07-10 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural and biological characterization of pAC65, a macrocyclic peptide that blocks PD-L1 with equivalent potency to the FDA-approved antibodies.
Mol Cancer, 22, 2023
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7OUN
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6R8G
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with 4-(3,4-difluorophenyl)thiazol-2-amine | | Descriptor: | 4-[3,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-amine, Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2019-04-01 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Fragment-Based Approach Identifies an Allosteric Pocket that Impacts Malate Dehydrogenase Activity
Commun Biol, 2021
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8AEU
 | | Structure of hMDM2 in complex with Nutlin-3a-aa | | Descriptor: | 4-[[(4~{S},5~{R})-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxy-phenyl)-4,5-dihydroimidazol-1-yl]carbonyl]-3-methylidene-piperazin-2-one, BETA-MERCAPTOETHANOL, E3 ubiquitin-protein ligase Mdm2 | | Authors: | Labuzek, B, Golik, P, Magiera-Mularz, K, Berg, T. | | Deposit date: | 2022-07-13 | | Release date: | 2023-01-18 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Nutlin-3a-aa: Improving the Bioactivity of a p53/MDM2 Interaction Inhibitor by Introducing a Solvent-Exposed Methylene Group.
Chembiochem, 24, 2023
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6Y91
 | | Crystal structure of malate dehydrogenase from Plasmodium Falciparum in complex with NADH | | Descriptor: | Malate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Romero, A.R, Calderone, V, Gentili, M, Lunev, S, Groves, M, Popowicz, G, Domling, A, Sattler, M. | | Deposit date: | 2020-03-06 | | Release date: | 2021-03-31 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A fragment-based approach identifies an allosteric pocket that impacts malate dehydrogenase activity.
Commun Biol, 4, 2021
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8P64
 | | Co-crystal structure of PD-L1 with low molecular weight inhibitor | | Descriptor: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | | Authors: | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | | Deposit date: | 2023-05-25 | | Release date: | 2024-03-06 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.312 Å) | | Cite: | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
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